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CAS 81811-14-5 DICLOFENACBETA-DIMETHYLAMINOETHANOL molecular structure lightbox
CAS RN: 81811-14-5

DICLOFENACBETA-DIMETHYLAMINOETHANOL

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260421 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-190132
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 81811-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

81811-14-5 / 2-[2-(2,6-dichloroanilino)phenyl]acetic acid;2-(dimethylamino)ethanol

Standard CAS: 81811-14-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81811-14-5
Multi CAS
No
Molecular Formula
C18H22CL2N2O3
Molecular Weight
385.300000
Exact Mass
384.100748
InChI
InChI=1S/C14H11Cl2NO2.C4H11NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;1-5(2)3-4-6/h1-7,17H,8H2,(H,18,19);6H,3-4H2,1-2H3
InChIKey
AINBLHPPOHIAEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
103.17
TPSA
72.8

LogP / Solubility

WLOGP
3.9
MLOGP
3.46
XLogP3
3.9
Consensus LogP
3.75
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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